============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 33 rings ring int. center anis. iso. PHE 27 1.000 -44.879 7.088 -38.562 -99.200 -91.000 PHE 29 1.000 -49.813 8.806 -34.502 -99.200 -91.000 HIS 30 0.900 -50.447 1.005 -32.899 -99.200 -91.000 TYR 32 0.840 -41.883 4.270 -34.572 -99.200 -91.000 HIS 35 0.900 -39.757 14.349 -29.523 -99.200 -91.000 TRP 36 1.040 -46.970 19.143 -31.559 -99.200 -91.000 TRP6 36 1.020 -47.431 19.849 -33.764 -99.200 -91.000 TRP 47 1.040 -38.572 18.782 -26.693 -99.200 -91.000 TRP6 47 1.020 -39.257 18.696 -24.438 -99.200 -91.000 TYR 59 0.840 -42.033 12.487 -20.288 -99.200 -91.000 HIS 60 0.900 -46.899 19.472 -21.082 -99.200 -91.000 TRP 65 1.040 -42.876 30.562 -18.790 -99.200 -91.000 TRP6 65 1.020 -41.505 30.296 -16.886 -99.200 -91.000 TYR 80 0.840 -55.547 16.013 -32.812 -99.200 -91.000 PHE 83 1.000 -49.331 27.087 -28.800 -99.200 -91.000 PHE 93 1.000 -45.400 26.397 -32.849 -99.200 -91.000 PHE 94 1.000 -39.779 22.747 -38.751 -99.200 -91.000 TYR 103 0.840 -41.775 -0.532 -31.851 -99.200 -91.000 TYR 105 0.840 -34.309 2.429 -30.555 -99.200 -91.000 HIS 106 0.900 -33.114 7.859 -25.141 -99.200 -91.000 TYR 107 0.840 -32.328 8.590 -33.847 -99.200 -91.000 TRP 111 1.040 -36.862 16.103 -37.942 -99.200 -91.000 TRP6 111 1.020 -36.855 17.968 -36.499 -99.200 -91.000 PHE 130 1.000 -41.152 57.502 -40.298 -99.200 -91.000 TYR 151 0.840 -45.330 46.341 -43.934 -99.200 -91.000 PHE 152 1.000 -51.717 42.576 -39.558 -99.200 -91.000 TRP 160 1.040 -34.814 52.163 -54.187 -99.200 -91.000 TRP6 160 1.020 -34.417 54.084 -52.878 -99.200 -91.000 HIS 170 0.900 -27.630 45.338 -51.736 -99.200 -91.000 PHE 172 1.000 -31.044 44.641 -45.992 -99.200 -91.000 TYR 182 0.840 -45.668 41.690 -40.669 -99.200 -91.000 TYR 200 0.840 -30.070 58.674 -55.959 -99.200 -91.000 HIS 206 0.900 -50.035 47.536 -46.647 -99.200 -91.000